[(E)-octadec-9-enyl] 2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(E)-octadec-9-enyl] 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(E)-octadec-9-enyl] 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid [(E)-octadec-9-enyl] ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C31H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-36-31(35)30(33-26(2)34)24-27-25-32-29-22-19-18-21-28(27)29/h10-11,18-19,21-22,25,30,32H,3-9,12-17,20,23-24H2,1-2H3,(H,33,34)/b11-10+